triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane

C12H24O12Si2 — CID 87359233

IUPACtriacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CC(C)(C)O[Si](O)(O)O
InChIInChI=1S/C8H12O8Si.C4H12O4Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12;1-4(2,3)8-9(5,6)7/h1-4H3;5-7H,1-3H3
InChIKeyDVRNNSLLRFYZNR-UHFFFAOYSA-N
MW416.48 g/mol
LogP-1.11
Rot. Bonds5

About triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane

triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 87359233) has the molecular formula C12H24O12Si2 and a molecular weight of 416.48 g/mol. Its IUPAC name is triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Nametriacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane
PubChem CID87359233
Molecular FormulaC12H24O12Si2
Molecular Weight416.48 g/mol
Exact Mass416.08
IUPAC Nametriacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CC(C)(C)O[Si](O)(O)O
InChIInChI=1S/C8H12O8Si.C4H12O4Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12;1-4(2,3)8-9(5,6)7/h1-4H3;5-7H,1-3H3
InChIKeyDVRNNSLLRFYZNR-UHFFFAOYSA-N
XLogP-1.11
TPSA175.12 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane (CID 87359233) is triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane is CC(=O)O[Si](OC(C)=O)(OC(C)=O)OC(C)=O.CC(C)(C)O[Si](O)(O)O.
What is the InChIKey of triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is DVRNNSLLRFYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O8Si.C4H12O4Si/c1-5(9)13-17(14-6(2)10,15-7(3)11)16-8(4)12;1-4(2,3)8-9(5,6)7/h1-4H3;5-7H,1-3H3.
What are the key properties of triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane?
triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 416.48 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for triacetyloxysilyl acetate;trihydroxy-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 87359233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).